| 12:08:40 PM PDT - Mon, Sep 29th 2014 |
|
Hi,
I am trying to understand what the files contain and when they are updated in the permanent directory so that I can run timing tests on NWChem (and have it run the same the same multiple times). Though I have figured out from the documenmtation some of what I want to know is there a summary page describing the filenames, what they contain, how/when they are modified and how they effect restart? For example, *.drv.hess, *.hess, *.db, *.movecs, *.nmodes, *.fd_ddipole?
Thanks,
Bill
|